Receptor
PDB id Resolution Class Description Source Keywords
1UBW 2.5 Å EC: 2.5.1.1 STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE GALLUS GALLUS TRANSFERASE ISOPRENE BIOSYNTHESIS CHOLESTEROL BIOSYNTHESIS
Ref.: REGULATION OF PRODUCT CHAIN LENGTH BY ISOPRENYL DIP SYNTHASES. PROC.NATL.ACAD.SCI.USA V. 93 15018 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GPP A:401;
Valid;
none;
submit data
314.209 C10 H20 O7 P2 CC(=C...
MG A:402;
A:403;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UBY 2.4 Å EC: 2.5.1.1 STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE GALLUS GALLUS TRANSFERASE ISOPRENE BIOSYNTHESIS CHOLESTEROL BIOSYNTHESIS
Ref.: REGULATION OF PRODUCT CHAIN LENGTH BY ISOPRENYL DIP SYNTHASES. PROC.NATL.ACAD.SCI.USA V. 93 15018 1996
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UBY - DMA C5 H12 O7 P2 CC(=CCO[P@....
2 1UBX - FPP C15 H28 O7 P2 CC(=CCC/C(....
3 1UBW - GPP C10 H20 O7 P2 CC(=CCC/C(....
70% Homology Family (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1ZW5 - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
2 1YV5 - RIS C7 H11 N O7 P2 c1cc(cnc1)....
3 4QXS ic50 = 1.1 uM WC1 C21 H27 N O6 P2 C[C@H](c1c....
4 4P0V - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
5 2F92 - AHD C4 H9 N O7 P2 C(CC(O)(P(....
6 5JUZ ic50 = 3 uM YL4 C22 H20 N3 O4 P S Cc1ccc(cc1....
7 4RXA ic50 = 1.8 uM 3F2 C32 H28 N6 O2 c1cc(cc(c1....
8 3N49 ic50 = 7 uM 3N4 C14 H10 O2 S c1ccc2c(c1....
9 5JV2 ic50 = 100 uM 6O3 C14 H13 N2 O3 P S Cc1ccc(cc1....
10 3N5J ic50 = 8 uM GO1 C11 H7 Cl2 N O4 c1c(cc(c2c....
11 2F9K - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
12 3N45 - PO4 O4 P [O-]P(=O)(....
13 4LPH ic50 = 4.5 uM YL3 C14 H14 N3 O3 P S Cc1ccc(cc1....
14 5JV1 ic50 = 0.86 uM YL6 C21 H18 Cl F N3 O3 P S Cc1ccc(cc1....
15 4LFV - YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
16 4LPG ic50 = 0.022 uM 1MV C14 H15 N3 O6 P2 S Cc1ccc(cc1....
17 2F94 - BFQ C9 H23 N O7 P2 CCCCC[N@](....
18 3N6K ic50 = 0.2 uM BFH C15 H11 N O4 c1ccc2c(c1....
19 5JV0 ic50 = 1.1 uM YL5 C21 H19 F N3 O3 P S Cc1ccc(cc1....
20 4H5E Kd = 0.86 uM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
21 3N5H ic50 = 2 uM GO0 C11 H7 Cl2 N O4 c1cc(c2c(c....
22 4H5D Kd = 0.58 uM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
23 2F8C - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
24 4P0W - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
25 3N46 - PO4 O4 P [O-]P(=O)(....
26 4P0X - 1WO C20 H26 O3 CC(C)C1=CC....
27 4H5C - PO4 O4 P [O-]P(=O)(....
28 5DGN ic50 = 1.2 uM 59Y C20 H13 N O2 c1ccc2c(c1....
29 4DEM ic50 = 28 nM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
30 3N1V ic50 > 500 uM 3N1 C11 H9 Cl O2 S Cc1c2cc(cc....
31 2OPM - NI9 C7 H11 F N O7 P2 c1cc(c[n+]....
32 5JA0 Kd = 5.3 uM FPP C15 H28 O7 P2 CC(=CCC/C(....
33 1YQ7 - RIS C7 H11 N O7 P2 c1cc(cnc1)....
34 1UBY - DMA C5 H12 O7 P2 CC(=CCO[P@....
35 1UBX - FPP C15 H28 O7 P2 CC(=CCC/C(....
36 1UBW - GPP C10 H20 O7 P2 CC(=CCC/C(....
50% Homology Family (63)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1ZW5 - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
2 1YV5 - RIS C7 H11 N O7 P2 c1cc(cnc1)....
3 4QXS ic50 = 1.1 uM WC1 C21 H27 N O6 P2 C[C@H](c1c....
4 4P0V - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
5 2F92 - AHD C4 H9 N O7 P2 C(CC(O)(P(....
6 5JUZ ic50 = 3 uM YL4 C22 H20 N3 O4 P S Cc1ccc(cc1....
7 4RXA ic50 = 1.8 uM 3F2 C32 H28 N6 O2 c1cc(cc(c1....
8 3N49 ic50 = 7 uM 3N4 C14 H10 O2 S c1ccc2c(c1....
9 5JV2 ic50 = 100 uM 6O3 C14 H13 N2 O3 P S Cc1ccc(cc1....
10 3N5J ic50 = 8 uM GO1 C11 H7 Cl2 N O4 c1c(cc(c2c....
11 2F9K - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
12 3N45 - PO4 O4 P [O-]P(=O)(....
13 4LPH ic50 = 4.5 uM YL3 C14 H14 N3 O3 P S Cc1ccc(cc1....
14 5JV1 ic50 = 0.86 uM YL6 C21 H18 Cl F N3 O3 P S Cc1ccc(cc1....
15 4LFV - YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
16 4LPG ic50 = 0.022 uM 1MV C14 H15 N3 O6 P2 S Cc1ccc(cc1....
17 2F94 - BFQ C9 H23 N O7 P2 CCCCC[N@](....
18 3N6K ic50 = 0.2 uM BFH C15 H11 N O4 c1ccc2c(c1....
19 5JV0 ic50 = 1.1 uM YL5 C21 H19 F N3 O3 P S Cc1ccc(cc1....
20 4H5E Kd = 0.86 uM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
21 3N5H ic50 = 2 uM GO0 C11 H7 Cl2 N O4 c1cc(c2c(c....
22 4H5D Kd = 0.58 uM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
23 2F8C - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
24 4P0W - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
25 3N46 - PO4 O4 P [O-]P(=O)(....
26 4P0X - 1WO C20 H26 O3 CC(C)C1=CC....
27 4H5C - PO4 O4 P [O-]P(=O)(....
28 5DGN ic50 = 1.2 uM 59Y C20 H13 N O2 c1ccc2c(c1....
29 4DEM ic50 = 28 nM YS4 C15 H20 N2 O7 P2 CC(C)Oc1cc....
30 3N1V ic50 > 500 uM 3N1 C11 H9 Cl O2 S Cc1c2cc(cc....
31 2OPM - NI9 C7 H11 F N O7 P2 c1cc(c[n+]....
32 5JA0 Kd = 5.3 uM FPP C15 H28 O7 P2 CC(=CCC/C(....
33 1YQ7 - RIS C7 H11 N O7 P2 c1cc(cnc1)....
34 2O1O Ki = 0.38 nM RIS C7 H11 N O7 P2 c1cc(cnc1)....
35 2Q58 - ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
36 3LDW Ki = 10.7 nM ZOL C5 H10 N2 O7 P2 c1cn(cn1)C....
37 3PH7 - GRG C20 H36 O7 P2 CC(=CCC/C(....
38 5HN7 ic50 = 120 uM 04M C26 H35 N O7 S CCCCCCCCOc....
39 5HN9 ic50 = 50 uM 04W C24 H31 N O6 CCCCCCCCCC....
40 1UBY - DMA C5 H12 O7 P2 CC(=CCO[P@....
41 1UBX - FPP C15 H28 O7 P2 CC(=CCC/C(....
42 1UBW - GPP C10 H20 O7 P2 CC(=CCC/C(....
43 4K10 Kd = 119.5 nM NI9 C7 H11 F N O7 P2 c1cc(c[n+]....
44 4RXE ic50 = 230 nM 3YQ C7 H12 N2 O6 P2 Cc1cccnc1N....
45 2EWG - M0N C9 H12 N2 O7 P2 c1ccn2c(c1....
46 5AFX ic50 = 1.2 uM PVZ C14 H29 N2 O7 P2 CCCCCCCCCn....
47 3DYH - 721 C11 H20 N O7 P2 CCCCOc1ccc....
48 2I19 - 1BY C7 H12 N2 O6 P2 c1ccnc(c1)....
49 3EGT Ki = 32 nM 722 C14 H26 N O7 P2 CCCCCCCOc1....
50 3EFQ - 714 C15 H28 N O7 P2 CCCCCCCCOc....
51 4RXD ic50 = 300 nM RIS C7 H11 N O7 P2 c1cc(cnc1)....
52 4RXC ic50 ~ 33 uM HRX C8 H13 N O7 P2 c1cc(cnc1)....
53 3DYG - NI9 C7 H11 F N O7 P2 c1cc(c[n+]....
54 2P1C Ki = 21 nM GG3 C14 H25 N O7 P2 C[N@](CCCC....
55 4DXJ ic50 = 38 nM 0M9 C5 H15 N O6 P2 CCCNCC(P(=....
56 3ICN - NI9 C7 H11 F N O7 P2 c1cc(c[n+]....
57 3ICK - IPR C5 H14 O7 P2 CC(C)CCO[P....
58 4DWB ic50 = 1.84 uM 0M7 C7 H19 N O6 P2 CCCCCNCC(P....
59 4DWG ic50 = 58 nM 0M8 C9 H23 N O6 P2 CCCCCCCNCC....
60 3ICM - P2H C13 H16 N O7 P2 c1ccc(cc1)....
61 3ICZ - PB6 C11 H18 N O6 P2 CC/C=C/c1c....
62 1YHL - RIS C7 H11 N O7 P2 c1cc(cnc1)....
63 3IBA - SO4 O4 S [O-]S(=O)(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GPP; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 GPP 1 1
2 OTP 0.911111 0.95
3 ZTP 0.911111 0.95
4 VTP 0.911111 0.95
5 GRG 0.911111 0.974359
6 FPP 0.911111 0.974359
7 FFF 0.672727 0.904762
8 DSL 0.659574 0.875
9 0K3 0.659574 0.875
10 FJP 0.659574 0.897436
11 FDF 0.654545 0.880952
12 10D 0.617021 0.804878
13 10E 0.617021 0.717391
14 DMA 0.613636 0.868421
15 H6P 0.595745 0.804878
16 10G 0.583333 0.785714
17 A4S 0.545455 0.711538
18 2CF 0.533333 0.904762
19 FPF 0.533333 0.904762
20 FGG 0.52459 0.904762
21 GST 0.518519 0.878049
22 3E9 0.516129 0.926829
23 MGM 0.5 0.745098
24 FPS 0.482759 0.857143
25 GGS 0.482759 0.857143
26 FPQ 0.47619 0.804348
27 LA6 0.473684 0.926829
28 0FV 0.473684 0.926829
29 749 0.461538 0.871795
30 1NH 0.444444 0.787234
31 FII 0.444444 0.649123
32 SZH 0.432432 0.637931
33 PS7 0.426667 0.883721
34 FHP 0.403509 0.738095
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1UBY; Ligand: DMA; Similar sites found: 385
This union binding pocket(no: 1) in the query (biounit: 1uby.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3S9K CIT 0.0005392 0.52282 None
2 2BOI MFU 0.002013 0.42793 None
3 2GJ3 FAD 0.0008575 0.40035 None
4 3ZUY TCH 0.003432 0.40817 1.23839
5 1Y7P RIP 0.01292 0.41671 1.34529
6 4RPM HXC 0.04333 0.41108 1.3624
7 4E28 9MZ 0.01328 0.40425 1.53846
8 1RYI GOA 0.002149 0.48304 1.63488
9 1RYD GLC 0.0002799 0.47819 1.63488
10 4QVH FLC 0.004977 0.46595 1.63488
11 2F2U M77 0.0004368 0.44264 1.63488
12 2ZJ3 G6P 0.001703 0.40563 1.63488
13 4WVH ASP HIS ASP ALA HIS ALA 0.005776 0.40412 1.63488
14 1E4E PHY 0.002388 0.40054 1.74927
15 3IHB TRS 0.006597 0.42786 1.75439
16 3IHB GLU 0.01079 0.41406 1.75439
17 1O68 KIV 0.009321 0.40054 1.81818
18 1PFK ADP 0.0005266 0.42364 1.875
19 2ZWS PLM 0.004706 0.46405 1.90736
20 3PC3 P1T 0.0001399 0.41831 1.90736
21 3UER BTU 0.001391 0.41817 1.90736
22 3UER TUR 0.001391 0.41817 1.90736
23 2HHP FLC 0.0008875 0.41753 1.90736
24 1WDA BAG 0.003653 0.41204 1.90736
25 1KTC NGA 0.007452 0.40454 1.90736
26 1SQ5 ADP 0.002269 0.41024 1.94805
27 2HGZ PBF 0.0003077 0.43944 1.96078
28 3CEV ARG 0.003107 0.41484 2.00669
29 5D63 FUC GLA GLA 0.0001751 0.48717 2.04778
30 5D63 FUC GAL GLA 0.002435 0.41904 2.04778
31 1RZM E4P 0.006446 0.42434 2.07101
32 1T3D CYS 0.0008994 0.46351 2.07612
33 1ZJ6 G3D 0.000865 0.42587 2.13904
34 4USS GSH 0.005405 0.41029 2.15385
35 2ALG DAO 0.0001658 0.41588 2.17391
36 2ALG HP6 0.0001658 0.41588 2.17391
37 4RJK PYR 0.002432 0.45132 2.17984
38 2BLE 5GP 0.004744 0.42998 2.17984
39 2XVE FAD 0.01394 0.41234 2.17984
40 4M5P MLA 0.03091 0.41146 2.17984
41 4M5P 23W 0.0184 0.40935 2.17984
42 3GJB AKG 0.001394 0.42868 2.19436
43 1ZUW DGL 0.006412 0.40231 2.20588
44 2XNJ FAD 0.007487 0.40446 2.25564
45 1OGD RIP 0.001851 0.42943 2.29008
46 1FW1 GSH 0.0007717 0.42262 2.31481
47 2I0G I0G 0.02564 0.4099 2.33463
48 2V7T SAH 0.00311 0.45198 2.34114
49 1XHL NDP 0.0003272 0.44988 2.3569
50 2Q1A 2KT 0.001787 0.44272 2.38908
51 1P72 THM 0.0008398 0.44353 2.39521
52 1P9B HDA 0.00004767 0.50304 2.45232
53 4CCN OGA 0.003255 0.43124 2.45232
54 1XMY ROL 0.008572 0.41763 2.45232
55 3G58 988 0.007768 0.41523 2.45232
56 3B9Z CO2 0.02474 0.40775 2.45232
57 1PR9 NAP 0.003973 0.41092 2.45902
58 3P7I P7I 0.003457 0.41827 2.49221
59 1E7S NAP 0.005575 0.40422 2.49221
60 3R51 MMA 0.01931 0.41488 2.5
61 2HFK E4H 0.002363 0.42507 2.50784
62 3KDU NKS 0.01824 0.4076 2.52708
63 4Q3F TLA 0.001708 0.44358 2.5641
64 3G9E RO7 0.02048 0.40104 2.58303
65 3U1T MLI 0.0005807 0.4722 2.589
66 4W6Z ETF 0.02688 0.40768 2.59366
67 1NZY BCA 0.0002152 0.45031 2.60223
68 4I90 CHT 0.01475 0.41652 2.64026
69 2VDJ HSE 0.009342 0.42345 2.65781
70 1V6A TRE 0.000696 0.45356 2.71084
71 9LDT OXM 0.008337 0.44125 2.71084
72 2Q8M BG6 0.02382 0.40397 2.71084
73 2OWZ CIT 0.0142 0.40296 2.71084
74 2HVW DDN 0.001015 0.41831 2.71739
75 1PEA ACM 0.006437 0.43117 2.7248
76 1QO0 BMD 0.005538 0.42105 2.7248
77 1ZED PNP 0.01625 0.40589 2.7248
78 4R33 TRP 0.005655 0.4052 2.7248
79 4R33 SAH 0.005655 0.4052 2.7248
80 3T1A 5MA 0.0009628 0.40422 2.7248
81 2D24 XYS XYS 0.04833 0.40239 2.7248
82 3UEC ALA ARG TPO LYS 0.003688 0.43546 2.73973
83 3FPZ AHZ 0.01808 0.41564 2.76074
84 2ZJF BSU 0.0001291 0.46301 2.76243
85 2W3L DRO 0.001809 0.46609 2.77778
86 1YOE RIB 0.003986 0.41053 2.79503
87 2XK9 XK9 0.006423 0.4043 2.79503
88 1CBF SAH 0.0005549 0.42284 2.80702
89 2DTJ THR 0.001778 0.41917 2.80899
90 1LYX PGA 0.001369 0.41361 2.82258
91 3TKA CTN 0.002036 0.47844 2.88184
92 1H16 PYR 0.002555 0.4503 2.99728
93 2NLI LAC 0.003564 0.42879 2.99728
94 2NLI FMN 0.003564 0.42879 2.99728
95 4L7I SAM 0.0003594 0.42456 2.99728
96 4ARF IP8 GLY PRO ALA 0.0007434 0.40943 2.99728
97 3K5X P8D 0.005121 0.40147 2.99728
98 2XRH NIO 0.003949 0.4341 3
99 1I0Z OXM 0.01992 0.41421 3.003
100 3CBG 4FE 0.003824 0.45886 3.01724
101 3CBG FER 0.002691 0.45752 3.01724
102 2VHJ ADP 0.0003987 0.40836 3.02115
103 1CKM GTP 0.006153 0.40302 3.0303
104 1CKN GTP 0.00653 0.40199 3.0303
105 4LSJ LSJ 0.001391 0.41064 3.10078
106 2VAR AMP 0.003676 0.40702 3.19489
107 1EYE PMM 0.002753 0.4071 3.21429
108 3MAG 3MA 0.01543 0.42729 3.25733
109 4KGM ATP 0.002806 0.40679 3.26531
110 2P69 PLP 0.001756 0.43647 3.26797
111 1GPJ CIT 0.001058 0.45275 3.26975
112 2CKM AA7 0.0006752 0.4493 3.26975
113 4DYO SD4 0.001377 0.42888 3.26975
114 3CQ5 PMP 0.004575 0.40815 3.26975
115 4C6F NCD 0.004361 0.40416 3.26975
116 4C6F DOR 0.004361 0.40416 3.26975
117 3ZPG 5GP 0.03258 0.40347 3.26975
118 1Z45 GAL 0.008223 0.40278 3.26975
119 3JQ3 ADP 0.002299 0.41488 3.27869
120 1ULE GLA GAL NAG 0.02134 0.40626 3.33333
121 1AX2 NDG GAL 0.003223 0.41953 3.34728
122 3BRE C2E 0.01028 0.40918 3.35196
123 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.01494 0.40141 3.36134
124 3MCT 3MC 0.00528 0.41071 3.367
125 4B16 NAG 0.001637 0.478 3.38346
126 1L2T ATP 0.00004291 0.41892 3.40426
127 1XE7 GUN 0.002437 0.45966 3.44828
128 3EYK EYK 0.001198 0.47267 3.48837
129 2YIV YIV 0.0001598 0.50758 3.5061
130 2YIV NBN 0.008944 0.41782 3.5061
131 1GJW GLC 0.001302 0.45616 3.54223
132 2JC9 ADN 0.0009115 0.44207 3.54223
133 4KCF AKM 0.00685 0.41101 3.54223
134 4KCF FMN 0.0004409 0.40699 3.54223
135 1Q3P GLU ALA GLN THR ARG LEU 0.001716 0.42509 3.66972
136 2HW1 FRU 0.005249 0.41623 3.69128
137 1F1V DHY 0.004328 0.40911 3.71517
138 2YBQ UP2 0.001906 0.42647 3.76712
139 2YBQ SAH 0.00111 0.4121 3.76712
140 1V5F TPP 0.03263 0.42351 3.81471
141 1V5F FAD 0.03263 0.42351 3.81471
142 1R27 MGD 0.004186 0.41357 3.81471
143 2HGS ADP 0.001437 0.41203 3.81471
144 2HGS GSH 0.0007364 0.40322 3.81471
145 1NXJ GLV 0.005071 0.40637 3.82514
146 3PNA CMP 0.0008309 0.43761 3.8961
147 1YFZ IMP 0.003923 0.42162 3.90244
148 3U4C NDP 0.002847 0.41101 3.91459
149 2YLD CMO 0.0002697 0.4789 3.93701
150 1S8F GDP 0.00166 0.41057 3.9548
151 2Y0I AKG 0.01127 0.40207 3.97727
152 4B9E FAH 0.0006053 0.47137 3.98671
153 1OIK AKG 0.0007889 0.45837 3.98671
154 1PTR PRB 0.002446 0.44363 4
155 2Z9C FMN 0.0006152 0.40378 4
156 3FS8 ACO 0.02729 0.41003 4.0293
157 4GYW UDP 0.0003499 0.4488 4.08719
158 4WBD CIT 0.004387 0.43911 4.08719
159 4M51 BEZ 0.005619 0.43399 4.08719
160 4WBD ADP 0.004134 0.43319 4.08719
161 4NES UDP 0.0003801 0.42373 4.08719
162 4CIB 7UZ 0.006362 0.41267 4.08719
163 1WGC SIA GAL BGC 0.02466 0.41662 4.09357
164 1TDF FAD 0.000959 0.44851 4.11392
165 1TDF NAP 0.01625 0.41437 4.11392
166 3UST FAD 0.0008744 0.41589 4.11985
167 4A6F SEP 0.009706 0.4378 4.16667
168 3QDY CBS 0.0009106 0.46326 4.1958
169 3QDW A2G 0.002145 0.46242 4.1958
170 3QDT A2G GAL 0.001724 0.45844 4.1958
171 3QDW NDG 0.002094 0.44672 4.1958
172 3QDY A2G GAL 0.003492 0.44384 4.1958
173 1Y75 NAG 0.003723 0.41171 4.23729
174 4P9Z NMI PTR 02K ASN NH2 0.004378 0.41406 4.2735
175 4TQ3 GPP 0.002238 0.40656 4.29043
176 1UF5 CDT 0.004171 0.40491 4.29043
177 1G8S MET 0.01272 0.40507 4.34783
178 1JGS SAL 0.04295 0.40253 4.34783
179 2BO4 FLC 0.0006895 0.46879 4.35967
180 1T26 GBD 0.02211 0.41755 4.35967
181 1T26 NAI 0.02211 0.41755 4.35967
182 3ZGE ASP 0.01857 0.40916 4.35967
183 2IZ1 ATR 0.0108 0.40822 4.35967
184 2CW6 3HG 0.007419 0.43562 4.36242
185 3I6B KDO 0.0003144 0.46106 4.44444
186 2EB5 OXL 0.00453 0.4249 4.49438
187 1DL7 NCH 0.03028 0.41971 4.58716
188 2Q3M MLA 0.0008622 0.48206 4.60123
189 4C2G ALA ALA ALA ALA 0.006176 0.40296 4.63215
190 1KBJ FMN 0.00392 0.40156 4.63215
191 3Q3C NAD 0.01965 0.40088 4.63215
192 3VHZ L2P GLC MAN SGA 0.0312 0.40065 4.63215
193 2J7T 274 0.003372 0.40833 4.63576
194 2Y6P CTP 0.003839 0.40629 4.70085
195 1BTN I3P 0.0004158 0.52842 4.71698
196 4COQ SAN 0.001591 0.44494 4.8583
197 4HA6 PXM 0.001006 0.44676 4.90463
198 4OYA 1VE 0.005134 0.44656 4.90463
199 2OHV NHL 0.006052 0.40331 4.92424
200 2VWA PTY 0.002543 0.46203 4.9505
201 4AIG FLX 0.001507 0.42194 4.97512
202 2PT9 S4M 0.001209 0.41992 4.98442
203 2PT9 2MH 0.007715 0.40132 4.98442
204 4HZO COA 0.0006658 0.44767 5.03145
205 2ZE3 AKG 0.008753 0.40676 5.09091
206 3WUD GLC GAL 0.01074 0.42054 5.14706
207 2NVK NAP 0.006306 0.40753 5.17711
208 1E5F PLP 0.002191 0.40186 5.17711
209 1SS4 CIT 0.0001071 0.56743 5.22876
210 1SS4 GSH 0.008638 0.45457 5.22876
211 3KJQ B94 0.001509 0.41685 5.26316
212 4F4S EFO 0.01783 0.40623 5.26316
213 4U9W SER GLY ARG GLY LYS NH2 0.006505 0.41505 5.31401
214 4MRP GSH 0.005071 0.43449 5.37459
215 1DXY COI 0.003427 0.45231 5.40541
216 2XI7 XI7 0.0001494 0.54571 5.43478
217 3HZL 6PC 0.009143 0.4311 5.44959
218 2NCD ADP 0.003288 0.42488 5.44959
219 3DG6 MUC 0.001309 0.41431 5.44959
220 3BK2 U5P 0.002137 0.41121 5.44959
221 3O2K DST 0.005739 0.40922 5.44959
222 1Y1A GSH 0.000264 0.54353 5.46448
223 1GEG GLC 0.01552 0.44624 5.46875
224 3A2Q ACA ACA 0.0008516 0.41176 5.47667
225 3L6R MLI 0.003568 0.43612 5.49133
226 1H8P PC 0.01256 0.42422 5.50459
227 1N9L FMN 0.0007038 0.4075 5.50459
228 1Y13 BIO 0.002521 0.41334 5.52486
229 1QH9 LAC 0.007492 0.41525 5.60345
230 2GDZ NAD 0.001954 0.41841 5.61798
231 2XDQ MGX 0.001128 0.47628 5.72207
232 3SQG COM 0.02169 0.41955 5.72207
233 1BGQ RDC 0.0004427 0.43729 5.77778
234 3TO7 COA 0.005621 0.41088 5.7971
235 3PMD 11A 0.003415 0.40825 5.88235
236 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0009713 0.41802 5.95745
237 1GSA ADP 0.001382 0.41263 6.01266
238 3NNF AKG 0.003214 0.43148 6.10465
239 1TUV VK3 0.008864 0.43177 6.14035
240 2RCN GDP 0.002615 0.41272 6.14525
241 4EXO PYR 0.00151 0.46118 6.16438
242 2Z9V PXM 0.007429 0.4046 6.26703
243 4MGA 27L 0.01892 0.41465 6.27451
244 4IXW IXW 0.003911 0.41086 6.29921
245 4AF5 CIT 0.002136 0.4393 6.31579
246 1A5V Y3 0.004366 0.41963 6.32911
247 2OFE NAG 0.0004131 0.47074 6.33803
248 2OFD NGA 0.0009254 0.45531 6.33803
249 1B8U OAA 0.002288 0.41857 6.38298
250 4DQ2 BTX 0.0009978 0.42765 6.40244
251 3QQA TCH 0.002955 0.40099 6.48148
252 3I7S PYR 0.005034 0.43627 6.50685
253 1Z44 NPO 0.003618 0.47029 6.50888
254 1Z42 HBA 0.03053 0.4223 6.50888
255 1Z42 FMN 0.001948 0.41271 6.50888
256 1Z44 FMN 0.002501 0.40412 6.50888
257 3TFC PEP 0.00364 0.41735 6.53951
258 1Q3Q ANP 0.009186 0.41556 6.53951
259 3E6J DR2 0.02211 0.41542 6.55022
260 3H0A D30 0.007203 0.41457 6.57895
261 2YD6 FLC 0.00003692 0.58066 6.60377
262 3UDG TMP 0.002703 0.45742 6.64452
263 1JAC AMG 0.001487 0.48017 6.76692
264 3H86 AP5 0.01224 0.40948 6.77083
265 4O8A 2OP 0.000895 0.48126 6.81199
266 4N7C AEF 0.007923 0.42023 6.81818
267 3UIE ANP 0.0005737 0.43808 7
268 3UIE ADX 0.001742 0.40981 7
269 2WQ4 SFU 0.007132 0.42223 7.05128
270 3WCS MAN NAG GAL 0.002533 0.41325 7.08661
271 3WCS MAN NAG 0.008627 0.40192 7.08661
272 1I9G SAM 0.003856 0.42397 7.14286
273 2Q37 3AL 0.005346 0.41589 7.18232
274 2IYG FMN 0.0004456 0.43662 7.25806
275 3W54 RNB 0.01015 0.40169 7.29483
276 1I2B USQ 0.01135 0.41189 7.35695
277 1I2B UPG 0.01135 0.41189 7.35695
278 1I2B NAD 0.01135 0.41189 7.35695
279 1JH7 UVC 0.002182 0.43245 7.40741
280 4JWX 1N4 0.0008674 0.44295 7.5
281 4K30 NLG 0.001632 0.43167 7.5
282 3RGG AIR 0.0009528 0.4296 7.54717
283 3B6C SDN 0.00018 0.50717 7.69231
284 3IOI 1GW 0.003993 0.4096 7.71812
285 1Y2W NAG 0.0008921 0.45601 7.74648
286 1OMZ UD2 0.01259 0.40216 7.84983
287 3MD0 GDP 0.004975 0.4067 7.88732
288 3G08 FEE 0.02002 0.41742 7.90191
289 3NKS ACJ 0.001035 0.41332 7.90191
290 1KC7 PPR 0.01282 0.41063 7.90191
291 1OGZ EQU 0.002659 0.40766 8
292 4J7Q B7N 0.005859 0.42771 8.10811
293 1TV5 N8E 0.02182 0.40176 8.12641
294 2VQ5 LDP 0.002542 0.45875 8.17439
295 2VQ5 HBA 0.007639 0.42096 8.17439
296 4IVG ANP 0.008031 0.41484 8.17439
297 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.006461 0.41058 8.17439
298 1WUR 8DG 0.002742 0.40214 8.18182
299 1NF8 BOG 0.01213 0.41749 8.21256
300 1NF8 ISC 0.003287 0.40422 8.21256
301 1YRX FMN 0.0009602 0.41919 8.26446
302 1O9U ADZ 0.001283 0.47349 8.28571
303 3RKR NAP 0.002079 0.41166 8.39695
304 1XX4 BAM 0.000209 0.5126 8.42912
305 1QB7 ADE 0.004533 0.40351 8.47458
306 1MZV AMP 0.002126 0.41618 8.51064
307 1B5E DCM 0.00344 0.41308 8.53659
308 1UXG FUM 0.003342 0.41947 8.73786
309 1UXG NAD 0.003342 0.41947 8.73786
310 3F81 STT 0.0002587 0.508 8.74317
311 1V2X SAM 0.001739 0.40532 8.76289
312 1AUA BOG 0.00637 0.40735 8.78378
313 1GAD NAD 0.00343 0.40517 8.78788
314 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.002449 0.45533 8.84354
315 3DCM SAM 0.0001986 0.43803 8.85417
316 4KCT PYR 0.00272 0.41714 8.99183
317 3IB9 BTN 0.01323 0.41303 8.99183
318 3SCH TB6 0.002446 0.43671 9.09091
319 1ZZ7 S0H 0.001296 0.43579 9.09091
320 1M1B SPV 0.002652 0.42885 9.15254
321 3BY8 MLT 0.002604 0.44238 9.15493
322 2BZ1 TAU 0.001835 0.48636 9.18367
323 4I67 G G G RPC 0.00873 0.4128 9.1954
324 1NU4 MLA 0.005048 0.46239 9.27835
325 1NN5 2DT 0.00441 0.40542 9.30233
326 1NN5 ANP 0.00441 0.40542 9.30233
327 1VPD TLA 0.03098 0.42134 9.36455
328 1I1Q TRP 0.0005623 0.44435 9.375
329 4TSK NDP 0.01925 0.40403 9.42857
330 1C1L GAL BGC 0.008525 0.41877 9.48905
331 1JA9 NDP 0.02606 0.40474 9.48905
332 3RLF MAL 0.003262 0.4383 9.53679
333 4INB 1F6 0.0008847 0.41551 9.58904
334 1HFA PIO 0.0007794 0.48701 9.68858
335 1A27 EST 0.001181 0.4113 9.68858
336 1FIQ SAL 0.005933 0.40321 10.0817
337 1FIQ MTE 0.005063 0.40321 10.0817
338 3RK0 AMP 0.002958 0.40593 10.1266
339 4JCA CIT 0.007595 0.44336 10.1796
340 1L0I PSR 0.01289 0.41855 10.2564
341 3L24 GOA 0.02248 0.41157 10.3542
342 1NML CIT 0.006556 0.40683 10.4294
343 3LTW HLZ 0.002239 0.4384 10.7143
344 1JN2 SFP 0.003056 0.50716 10.9705
345 3RF4 FUN 0.0004252 0.45567 11.2069
346 1SOW NAD 0.0008398 0.43471 11.2805
347 1YOA FMN 0.02644 0.42296 11.3208
348 1SC3 MLI 0.003045 0.44668 11.3636
349 1WRA PC 0.007957 0.42015 11.3636
350 4FGC PQ0 0.0009604 0.44761 11.5152
351 2QLX RM4 0.005074 0.42911 12.037
352 2QCX PF1 0.004609 0.41863 12.5475
353 1B74 DGN 0.00363 0.44303 12.5984
354 3NCQ ATP 0.0004334 0.40207 13.4454
355 4DN8 BMA 0.01556 0.40119 13.4615
356 2WCV FUC 0.003476 0.4129 13.5714
357 1H8G CHT 0.002309 0.48093 13.6842
358 1ECM TSA 0.00175 0.42475 13.7615
359 1XVB 3BR 0.01535 0.40099 14.1176
360 2Y7P SAL 0.001139 0.4381 14.2202
361 1FMB HYB 0.002811 0.40676 14.4231
362 3U3U EAH 0.003383 0.40946 14.5923
363 3BHO B4P 0.01208 0.43284 14.9038
364 1A5Z OXM 0.002582 0.45009 14.9864
365 1T0S BML 0.005717 0.42993 15.1163
366 1H2M OGA 0.008141 0.41365 15.3846
367 3EW2 BTN 0.006113 0.40314 15.5556
368 3N7S 3N7 0.01719 0.41715 15.625
369 4G28 0W8 0.005829 0.40396 15.6863
370 3E81 SLB 0.005475 0.41545 17.0732
371 3PMA SCR 0.00914 0.40089 17.2414
372 4LO2 GAL BGC 0.02821 0.4117 17.6871
373 2PR5 FMN 0.0008361 0.40596 18.1818
374 1C3V PDC 0.003543 0.4235 18.3673
375 2O66 FLC 0.002673 0.4287 19.2593
376 1T57 FMN 0.001404 0.41239 19.9029
377 4CCO OGA 0.002006 0.42799 20
378 2Z7I 742 0.000001272 0.6364 27.9412
379 2J1P GRG 0.00006036 0.45692 30.7167
380 4UMJ BFQ 0.00009583 0.56318 34.1216
381 1RQJ RIS 0.0000323 0.44855 34.4482
382 2V5E SCR 0.0001646 0.52978 42.5743
383 1YHM AHD 0.000005711 0.47971 43.6464
384 4JZB P2H 0.00000002658 0.66645 46.9613
385 4JZX 476 0.00000003236 0.62233 46.9613
Pocket No.: 2; Query (leader) PDB : 1UBY; Ligand: DMA; Similar sites found: 89
This union binding pocket(no: 2) in the query (biounit: 1uby.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3IL6 B83 0.0005827 0.42181 1.55763
2 3GTD MLI 0.002806 0.42781 1.63488
3 2VJJ RAM GLC GAL NAG NAG GLC 0.003865 0.42698 1.63488
4 3FED BIX 0.001711 0.4014 1.63488
5 4O1M NAD 0.001115 0.42735 1.90476
6 2HEK GDP 0.002759 0.41182 1.90736
7 4USQ FAD 0.006771 0.40344 1.93906
8 1SQ5 PAU 0.008481 0.40223 1.94805
9 2DWU DGL 0.004165 0.40977 2.17391
10 2HXT EHM 0.00129 0.41454 2.17984
11 2QDT I38 0.0008222 0.41683 2.23048
12 4WX0 HXD 0.0023 0.40112 2.28137
13 4NTD FAD 0.002916 0.42173 2.35294
14 2QV7 ADP 0.0008698 0.41597 2.37389
15 4LIT AKG 0.001385 0.44086 2.45232
16 1Q11 TYE 0.00186 0.42934 2.45232
17 2ZJ5 ADP 0.007217 0.41033 2.45232
18 1NHZ 486 0.00009602 0.41554 2.5
19 2H6T IVA VAL VAL STA ALA STA 0.0002751 0.42853 2.64706
20 9LDB OXM 0.01864 0.423 2.71084
21 2Q8M AMP 0.0035 0.4032 2.71084
22 1E2S CSN 0.001463 0.41257 2.7248
23 2JFV FLC 0.001949 0.44106 2.74914
24 1F5F DHT 0.0005628 0.41791 2.92683
25 1FBL HTA 0.0002839 0.44984 2.99728
26 1H16 DTL 0.004351 0.44715 2.99728
27 1T10 F6P 0.003662 0.42289 2.99728
28 5EGH PC 0.02083 0.42047 2.99728
29 3E5P PPI 0.0254 0.41127 2.99728
30 2YFT DQR 0.001377 0.40895 2.99728
31 1NVU GTP 0.007819 0.41837 3.01205
32 3CBG SAH 0.00167 0.40176 3.01724
33 2VAR KDF 0.001128 0.42156 3.19489
34 1T8U UAP SGN IDS SGN 0.002718 0.42289 3.30882
35 3KMT SAH 0.001689 0.4103 3.36134
36 4NAO AKG 0.007451 0.42146 3.37423
37 3KYF 5GP 5GP 0.001889 0.41816 3.4632
38 4D52 GIV 0.03139 0.41354 3.49206
39 4D52 GXL 0.03766 0.40661 3.49206
40 1TU3 GNP 0.0003794 0.43798 3.50877
41 2J8Z NAP 0.00143 0.42194 3.67232
42 2OZE AGS 0.0003934 0.42553 3.69128
43 1P9P SAH 0.000835 0.42034 3.83142
44 1QR0 COA 0.00144 0.4227 3.94737
45 2XUM OGA 0.003185 0.43165 4.01146
46 1H2K OGA 0.003669 0.42894 4.01146
47 4B7E OGA 0.007854 0.40877 4.01146
48 3A2Y TS5 0.001379 0.4046 4.06091
49 2C5S AMP 0.004475 0.40853 4.08719
50 4JHG ZEA 0.0004884 0.42478 4.16667
51 2QIA U20 0.006709 0.4199 4.19847
52 4LO6 SIA GAL 0.008289 0.42255 4.35967
53 4ME6 ADP 0.004111 0.42075 4.35967
54 1YS4 NAP 0.002323 0.40468 4.51977
55 1WHT BZS 0.001029 0.45328 4.57516
56 1D09 PAL 0.036 0.41237 4.57516
57 4F2Q QUS 0.00282 0.40223 4.65116
58 2WGC SIA GAL BGC 0.03721 0.41475 4.67836
59 2YVF FAD 0.02686 0.40008 4.90463
60 2YVF NAD 0.0278 0.40008 4.90463
61 2W8Q SIN 0.002182 0.44589 4.92813
62 2PFC PLM 0.002597 0.40804 5.46448
63 2DTX BMA 0.0115 0.4 5.99455
64 1GSA GSH 0.01223 0.40086 6.01266
65 3I0O ADP 0.003877 0.40613 6.19469
66 2Q97 ATP 0.0004787 0.42885 6.20155
67 2H6B 3C4 0.001976 0.41225 6.4
68 2P41 G1G 0.005896 0.40376 6.55738
69 1KYZ SAH 0.0005843 0.41037 6.84932
70 4F8L GAL 0.03284 0.41776 6.89655
71 4JP3 CIT 0.002306 0.40997 7.11297
72 3F8C HT1 0.003016 0.42647 7.14286
73 1QDS PGA 0.00128 0.42467 7.17131
74 3LST SAH 0.002248 0.4058 7.18391
75 2X2T GAL NGA 0.001262 0.47385 7.84314
76 4K7O EKZ 0.0008372 0.46493 8.33333
77 1TH8 ADP 0.002857 0.41124 8.96552
78 1FP1 SAH 0.001028 0.40439 9.80926
79 1FIQ FAD 0.00126 0.43079 10.0817
80 1HQL GLA MBG 0.01132 0.41311 12.0623
81 1Y42 TYR 0.002567 0.42359 12.2616
82 4N02 FNR 0.006439 0.42022 12.8852
83 1NP0 NGT 0.01453 0.40251 13.7931
84 2R00 OEG 0.01504 0.40743 14.5833
85 2E1A MSE 0.0009554 0.4352 24
86 2VKL MLT 0.01926 0.42226 27.7778
87 2FYU FDN 0.0001357 0.43078 30.6452
88 4B1V LAB 0.04661 0.40203 31.25
89 3P3N AKG 0.004424 0.42536 45
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